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IBS-ZINC04834206

 MMsINC code: MMs01899587
Type: Neutral
Formula: C14H10N2O4S2
SMILES:   S\1\C(=C/c2occc2)\C(=O)N/C/1=N\S(=O)(=O)c1ccccc1
InChI:   InChI=1/C14H10N2O4S2/c17-13-12(9-10-5-4-8-20-10)21-14(15-13)16-22(18,19)11-6-2-1-3-7-11/h1-9H,(H,15,16,17)/b12-9+

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Potential Energy
Epot(MMFF94)=32.3904 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.376 g/mol  logS: -4.98395  SlogP: 2.2284  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0364727  Sterimol/B1: 3.43966  Sterimol/B2: 3.75748  Sterimol/B3: 3.7766
  Sterimol/B4: 4.19536  Sterimol/L: 18.599 
 
 Surface and Volume Properties
  Accessible surface: 533.952  Positive charged surface: 232.583  Negative charged surface: 301.369  Volume: 271.375
  Hydrophobic surface: 367.342  Hydrophilic surface: 166.61
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.